On Target NK1R_HUMAN 0.60103625/CHEMBL1782141
For the given ligand Icatibant, we have found in our database that, being scored 0.60103625, the most similar ligand is CHEMBL1782141. Check out the elaboration below.
| Icatibant (Given Ligand) | CHEMBL1782141 (Similar Ligand) |
|---|---|
| N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC(=O)N[C@@H](Cc3cccs3)C(=O)N[C@@H](CO)C(=O)N5Cc4ccccc4C[C@@H]5C(=O)N7[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C[C@@H]6CCCC[C@@H]67 | CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CN2Cc3ccccc3C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc4c(C)cc(O)cc4C)C2=O |
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| 00058008 01807200 00100100 14010e00 001800a0 00000010 01000080 2200300c 00200a80 004908c2 08300200 c003b080 1600b89a 01202003 82182480 121c4008 10000202 02000028 02c06008 00000205 80020900 783d8eb0 03004083 83500018 02402801 c6000005 40004000 90000204 0c000110 0086000b b80e4000 00c12e10 | 00018008 418a3208 20100100 14010e00 00000021 00000000 13000400 2200300c 00200a80 000908d2 08300000 4003b002 06009892 01202001 80000480 02140008 00000200 02000000 00000008 00020201 80020100 38258620 00004003 83500018 00000880 c0000001 48124000 90000000 0c000110 0186000b a01c4000 00002600 |